%chk=000276463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276463

0 1
S -0.633207 0.973823 -1.898209
O -1.835353 1.778639 -1.900837
O -0.152021 0.388386 -3.135180
N -0.878643 -0.379717 -0.849066
C -0.663161 -1.766227 -1.368517
C 0.100194 -2.587029 -0.344699
C -1.350555 -0.257209 0.485891
C -0.058641 -2.322428 1.032760
C -0.949396 -1.227761 1.448072
C -2.003749 -2.438382 -1.689864
C 0.947507 -3.614551 -0.772156
C 0.632633 1.846511 -1.129903
C -2.186763 0.809774 0.864373
C 0.656582 -3.096664 1.961714
C -1.413469 -1.100054 2.764339
C 1.643983 -4.385232 0.162804
C 1.498521 -4.122935 1.528438
C -2.615576 0.916586 2.186303
C -2.233701 -0.034157 3.138351
C 1.966322 1.475275 -1.341979
C 0.338891 2.935187 -0.299947
C 2.999072 2.178733 -0.724164
C 1.366429 3.643525 0.321593
C 2.705779 3.267404 0.116770
C 3.809137 4.028613 0.770488
H -0.058219 -1.681377 -2.318250
H -2.559272 -1.880143 -2.453402
H -1.854015 -3.457111 -2.064130
H -2.647398 -2.504829 -0.803197
H 1.065122 -3.818286 -1.835811
H -2.545884 1.531372 0.122397
H 0.558335 -2.895409 3.027558
H -1.129715 -1.845062 3.509252
H 2.299077 -5.186439 -0.172722
H 2.044275 -4.719391 2.257586
H -3.266029 1.742678 2.474092
H -2.580460 0.051559 4.164866
H 2.203354 0.633439 -2.002227
H -0.702886 3.238215 -0.140879
H 4.033111 1.884372 -0.893990
H 1.129562 4.488457 0.965557
H 3.498947 4.494327 1.716499
H 4.680001 3.396978 0.996382
H 4.163079 4.840038 0.114446


%chk=000276463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276463

0 1
S -0.805025 0.977311 -2.074241
O -1.899977 2.180522 -2.141582
O -0.214326 0.267702 -3.425592
N -1.749283 -0.559880 -1.059466
C -1.082251 -1.840424 -1.421485
C 0.066632 -2.226053 -0.501779
C -1.857581 -0.254112 0.319959
C 0.034507 -1.814222 0.864723
C -1.054833 -0.918117 1.311670
C -2.190300 -2.932796 -1.448466
C 1.134822 -3.019238 -0.978130
C 0.657035 1.632667 -1.066816
C -2.826093 0.716433 0.703086
C 1.087576 -2.230287 1.726610
C -1.323008 -0.639361 2.678418
C 2.164740 -3.438571 -0.109395
C 2.135268 -3.041480 1.250171
C -3.036888 1.004095 2.062313
C -2.295354 0.308024 3.053317
C 1.897555 0.983920 -1.181437
C 0.443574 2.751970 -0.246245
C 2.977106 1.492835 -0.428585
C 1.539911 3.238656 0.499798
C 2.815965 2.621170 0.420361
C 3.994551 3.173538 1.200885
H -0.711008 -1.709783 -2.458695
H -2.998685 -2.622522 -2.131299
H -1.763082 -3.888776 -1.799884
H -2.615544 -3.088966 -0.441662
H 1.152953 -3.315190 -2.034254
H -3.403795 1.207550 -0.085977
H 1.104831 -1.897270 2.769569
H -0.766961 -1.168036 3.460040
H 2.983035 -4.063036 -0.484303
H 2.935197 -3.354182 1.930376
H -3.790885 1.742351 2.355184
H -2.482712 0.503483 4.114836
H 2.018988 0.122139 -1.845264
H -0.539862 3.231159 -0.211301
H 3.956890 1.007162 -0.502674
H 1.400557 4.110831 1.148787
H 3.666128 3.711535 2.106758
H 4.688605 2.372066 1.508859
H 4.572826 3.888684 0.584213


